3-[2-methoxy-5-(trifluoromethyl)phenyl]-N-methylprop-2-en-1-amine

C12H14F3NO — CID 169474783

IUPAC3-[2-methoxy-5-(trifluoromethyl)phenyl]-N-methylprop-2-en-1-amine
SMILESCNCC=Cc1cc(C(F)(F)F)ccc1OC
InChIInChI=1S/C12H14F3NO/c1-16-7-3-4-9-8-10(12(13,14)15)5-6-11(9)17-2/h3-6,8,16H,7H2,1-2H3
InChIKeySRLMVSAWPOETFR-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.95
Rot. Bonds4

About 3-[2-methoxy-5-(trifluoromethyl)phenyl]-N-methylprop-2-en-1-amine

3-[2-methoxy-5-(trifluoromethyl)phenyl]-N-methylprop-2-en-1-amine (PubChem CID 169474783) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 3-[2-methoxy-5-(trifluoromethyl)phenyl]-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name3-[2-methoxy-5-(trifluoromethyl)phenyl]-N-methylprop-2-en-1-amine
PubChem CID169474783
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name3-[2-methoxy-5-(trifluoromethyl)phenyl]-N-methylprop-2-en-1-amine
SMILESCNCC=Cc1cc(C(F)(F)F)ccc1OC
InChIInChI=1S/C12H14F3NO/c1-16-7-3-4-9-8-10(12(13,14)15)5-6-11(9)17-2/h3-6,8,16H,7H2,1-2H3
InChIKeySRLMVSAWPOETFR-UHFFFAOYSA-N
XLogP2.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxy-5-(trifluoromethyl)phenyl]-N-methylprop-2-en-1-amine?
The IUPAC name of 3-[2-methoxy-5-(trifluoromethyl)phenyl]-N-methylprop-2-en-1-amine (CID 169474783) is 3-[2-methoxy-5-(trifluoromethyl)phenyl]-N-methylprop-2-en-1-amine.
What is the SMILES notation for 3-[2-methoxy-5-(trifluoromethyl)phenyl]-N-methylprop-2-en-1-amine?
The canonical SMILES for 3-[2-methoxy-5-(trifluoromethyl)phenyl]-N-methylprop-2-en-1-amine is CNCC=Cc1cc(C(F)(F)F)ccc1OC.
What is the InChIKey of 3-[2-methoxy-5-(trifluoromethyl)phenyl]-N-methylprop-2-en-1-amine?
The InChIKey is SRLMVSAWPOETFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-16-7-3-4-9-8-10(12(13,14)15)5-6-11(9)17-2/h3-6,8,16H,7H2,1-2H3.
What are the key properties of 3-[2-methoxy-5-(trifluoromethyl)phenyl]-N-methylprop-2-en-1-amine?
3-[2-methoxy-5-(trifluoromethyl)phenyl]-N-methylprop-2-en-1-amine has a molecular weight of 245.24 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxy-5-(trifluoromethyl)phenyl]-N-methylprop-2-en-1-amine is sourced from PubChem (CID 169474783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).